DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:51 UTC
Update Date	2025-03-25 00:46:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02157667
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₂N₂O₇
Molecular Mass	390.1427
SMILES	O=C(O)CCC1NC(C(=O)O)CC1=CC=NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	SHYOJIUNNTZUHO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids aldimines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidine carboxylic acids tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid imine 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives propargyl-type 1,3-dipolar organic compound aldimine organic oxide pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives proline or derivatives secondary aliphatic amine tyrosine or derivatives azacycle organic 1,3-dipolar compound secondary amine pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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